JC5
Summary
| Name: | [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine |
| Formula: | C20 H27 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 341.447 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3 |
| InChIKey | InChI | 1.03 | XQQZNYFJATXWON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2 |
| SMILES | CACTVS | 3.385 | COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN |
